CID 45495403

1189749-68-5

Structural Information

Molecular Formula
C10H16N4O2
SMILES
C1CCC(CC1)(CC(=O)O)CN2C=NN=N2
InChI
InChI=1S/C10H16N4O2/c15-9(16)6-10(4-2-1-3-5-10)7-14-8-11-12-13-14/h8H,1-7H2,(H,15,16)
InChIKey
ANSFBWSCPNYMFA-UHFFFAOYSA-N
Compound name
2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.134596 150.8
[M+Na]+ 247.116538 156.3
[M-H]- 223.120044 150.0
[M+NH4]+ 242.161143 165.8
[M+K]+ 263.090478 154.2
[M+H-H2O]+ 207.124580 141.4
[M+HCOO]- 269.125521 165.8
[M+CH3COO]- 283.141171 183.3
[M+Na-2H]- 245.101986 154.7
[M]+ 224.12677142 147.0
[M]- 224.12786858 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.