CID 296717

1-tert-butylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)(C)N1CCC1C(=O)O
InChI
InChI=1S/C8H15NO2/c1-8(2,3)9-5-4-6(9)7(10)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKey
DGBAPZLVXNOENB-UHFFFAOYSA-N
Compound name
1-tert-butylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

157.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.9
[M+Na]+ 180.09950 141.5
[M-H]- 156.10300 136.8
[M+NH4]+ 175.14410 148.7
[M+K]+ 196.07344 144.0
[M+H-H2O]+ 140.10754 125.8
[M+HCOO]- 202.10848 152.7
[M+CH3COO]- 216.12413 179.3
[M+Na-2H]- 178.08495 139.7
[M]+ 157.10973 143.6
[M]- 157.11083 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe