CID 21935217

1-(2-methylpropyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)CN1CC(C1)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-6(2)3-9-4-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
NWSZTVOWVMKPDB-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

157.11028 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.7
[M+Na]+ 180.099498 141.5
[M-H]- 156.103004 137.4
[M+NH4]+ 175.144103 149.2
[M+K]+ 196.073438 144.1
[M+H-H2O]+ 140.107540 125.9
[M+HCOO]- 202.108481 154.0
[M+CH3COO]- 216.124131 180.6
[M+Na-2H]- 178.084946 138.6
[M]+ 157.10973142 144.3
[M]- 157.11082858 144.3
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