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]+ 197.13970 144.1
[M+Na]+ 219.12164 152.0
[M-H]- 195.12514 145.7
[M+NH4]+ 214.16624 162.1
[M+K]+ 235.09558 149.3
[M+H-H2O]+ 179.12968 136.0
[M+HCOO]- 241.13062 164.0
[M+CH3COO]- 255.14627 183.4
[M+Na-2H]- 217.10709 144.4
[M]+ 196.13187 140.8
[M]- 196.13297 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.