CID 124251605

2307732-72-3

Structural Information

Molecular Formula
C9H16N4O
SMILES
CC1=NC(=NN1)[C@H]2C[C@@H]([C@@H](C2)O)CN
InChI
InChI=1S/C9H16N4O/c1-5-11-9(13-12-5)6-2-7(4-10)8(14)3-6/h6-8,14H,2-4,10H2,1H3,(H,11,12,13)/t6-,7+,8+/m0/s1
InChIKey
AIQILIVNLVXTLA-XLPZGREQSA-N
Compound name
(1R,2R,4S)-2-(aminomethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.139696 144.7
[M+Na]+ 219.121638 152.1
[M-H]- 195.125144 145.0
[M+NH4]+ 214.166243 161.9
[M+K]+ 235.095578 148.6
[M+H-H2O]+ 179.129680 136.9
[M+HCOO]- 241.130621 163.1
[M+CH3COO]- 255.146271 181.0
[M+Na-2H]- 217.107086 144.6
[M]+ 196.13187142 139.5
[M]- 196.13296858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.