CID 137952107

2219407-26-6

Structural Information

Molecular Formula
C10H16N4O
SMILES
C1C[C@@H](O[C@@H]1CN)C2=NC(=NN2)C3CC3
InChI
InChI=1S/C10H16N4O/c11-5-7-3-4-8(15-7)10-12-9(13-14-10)6-1-2-6/h6-8H,1-5,11H2,(H,12,13,14)/t7-,8+/m0/s1
InChIKey
PCSGFIXBSDZVSU-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 148.0
[M+Na]+ 231.121638 156.7
[M-H]- 207.125144 153.4
[M+NH4]+ 226.166243 159.0
[M+K]+ 247.095578 152.8
[M+H-H2O]+ 191.129680 139.7
[M+HCOO]- 253.130621 166.9
[M+CH3COO]- 267.146271 159.2
[M+Na-2H]- 229.107086 149.3
[M]+ 208.13187142 146.5
[M]- 208.13296858 146.5
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.