CID 53943638

2,2-dimethyl-3-(1h-1,2,3-triazol-5-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)(CC1=NNN=C1)C(=O)O
InChI
InChI=1S/C7H11N3O2/c1-7(2,6(11)12)3-5-4-8-10-9-5/h4H,3H2,1-2H3,(H,11,12)(H,8,9,10)
InChIKey
NYEHBERLLTYABH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(2H-triazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.08513 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 137.6
[M+Na]+ 192.07435 145.2
[M-H]- 168.07785 134.7
[M+NH4]+ 187.11895 154.2
[M+K]+ 208.04829 143.3
[M+H-H2O]+ 152.08239 130.7
[M+HCOO]- 214.08333 154.5
[M+CH3COO]- 228.09898 172.7
[M+Na-2H]- 190.05980 142.8
[M]+ 169.08458 136.2
[M]- 169.08568 136.2
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

patents stripe