CID 137248460

2137539-17-2

Structural Information

Molecular Formula
C10H16N4
SMILES
CC1=NNC(=N1)[C@@H]2CNC[C@H]2C3CC3
InChI
InChI=1S/C10H16N4/c1-6-12-10(14-13-6)9-5-11-4-8(9)7-2-3-7/h7-9,11H,2-5H2,1H3,(H,12,13,14)/t8-,9+/m0/s1
InChIKey
FBPVFPCEAXIBSB-DTWKUNHWSA-N
Compound name
5-[(3S,4S)-4-cyclopropylpyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 150.3
[M+Na]+ 215.12672 159.5
[M-H]- 191.13022 152.9
[M+NH4]+ 210.17132 161.8
[M+K]+ 231.10066 153.6
[M+H-H2O]+ 175.13476 141.5
[M+HCOO]- 237.13570 166.9
[M+CH3COO]- 251.15135 160.7
[M+Na-2H]- 213.11217 150.2
[M]+ 192.13695 147.0
[M]- 192.13805 147.0
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.