CID 132343999

2138236-15-2

Structural Information

Molecular Formula
C9H16N4O
SMILES
CN1C=NN=C1[C@H]2C[C@@H]([C@@H](C2)O)CN
InChI
InChI=1S/C9H16N4O/c1-13-5-11-12-9(13)6-2-7(4-10)8(14)3-6/h5-8,14H,2-4,10H2,1H3/t6-,7+,8+/m0/s1
InChIKey
MBVNMWGUVVTESW-XLPZGREQSA-N
Compound name
(1R,2R,4S)-2-(aminomethyl)-4-(4-methyl-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

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.139696 144.1
[M+Na]+ 219.121638 152.0
[M-H]- 195.125144 145.7
[M+NH4]+ 214.166243 162.1
[M+K]+ 235.095578 149.3
[M+H-H2O]+ 179.129680 136.0
[M+HCOO]- 241.130621 164.0
[M+CH3COO]- 255.146271 183.4
[M+Na-2H]- 217.107086 144.4
[M]+ 196.13187142 140.8
[M]- 196.13296858 140.8
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.