CID 167738408

2835195-43-0

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)C1CCC(CC1)(C(=O)O)N2C=CN=N2
InChI
InChI=1S/C12H19N3O2/c1-9(2)10-3-5-12(6-4-10,11(16)17)15-8-7-13-14-15/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKey
JSFRKDAMUCAUQD-UHFFFAOYSA-N
Compound name
4-propan-2-yl-1-(triazol-1-yl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 155.4
[M+Na]+ 260.13694 160.7
[M-H]- 236.14044 156.2
[M+NH4]+ 255.18154 171.5
[M+K]+ 276.11088 158.8
[M+H-H2O]+ 220.14498 147.2
[M+HCOO]- 282.14592 170.1
[M+CH3COO]- 296.16157 188.2
[M+Na-2H]- 258.12239 156.5
[M]+ 237.14717 151.6
[M]- 237.14827 151.6
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.