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]+ 225.13460 150.8
[M+Na]+ 247.11654 156.3
[M-H]- 223.12004 150.0
[M+NH4]+ 242.16114 165.8
[M+K]+ 263.09048 154.2
[M+H-H2O]+ 207.12458 141.4
[M+HCOO]- 269.12552 165.8
[M+CH3COO]- 283.14117 183.3
[M+Na-2H]- 245.10199 154.7
[M]+ 224.12677 147.0
[M]- 224.12787 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.