CID 137945939

2287310-64-7

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CC1C(C2=NNC(=N2)CN)O
InChI
InChI=1S/C7H12N4O/c8-3-5-9-7(11-10-5)6(12)4-1-2-4/h4,6,12H,1-3,8H2,(H,9,10,11)
InChIKey
NPRPEVJMBJYWNX-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]-cyclopropylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 139.3
[M+Na]+ 191.09032 148.5
[M-H]- 167.09382 140.2
[M+NH4]+ 186.13492 151.0
[M+K]+ 207.06426 143.4
[M+H-H2O]+ 151.09836 131.5
[M+HCOO]- 213.09930 158.7
[M+CH3COO]- 227.11495 178.9
[M+Na-2H]- 189.07577 142.8
[M]+ 168.10055 137.7
[M]- 168.10165 137.7
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.