CID 44204854

1986990-18-4

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C[C@H]2[C@@H](C[C@@H]1N2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)5-3-4-1-2-6(5)8-4/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6+/m1/s1
InChIKey
ABNBSYHDPQDEOA-PBXRRBTRSA-N
Compound name
(1S,2R,4R)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

141.07898 Da
Monoisotopic Mass

-2.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.