CID 11062480

171754-02-2

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(3-4)8-6/h4-6,8H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1
InChIKey
BMVVXSIHLQYXJJ-JKUQZMGJSA-N
Compound name
(1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1265
Patents

141.07898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 131.1
[M+Na]+ 164.06820 137.8
[M-H]- 140.07170 129.9
[M+NH4]+ 159.11280 155.0
[M+K]+ 180.04214 135.8
[M+H-H2O]+ 124.07624 126.8
[M+HCOO]- 186.07718 148.4
[M+CH3COO]- 200.09283 168.1
[M+Na-2H]- 162.05365 133.6
[M]+ 141.07843 126.9
[M]- 141.07953 126.9
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