CID 19026153

Schembl7093326

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CN2CC1C(C2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-4-8-2-1-5(6)3-8/h5-6H,1-4H2,(H,9,10)
InChIKey
DJUYKFUHHWOHRZ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

141.07898 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 130.5
[M+Na]+ 164.06820 137.6
[M-H]- 140.07170 130.7
[M+NH4]+ 159.11280 155.1
[M+K]+ 180.04214 136.5
[M+H-H2O]+ 124.07624 125.9
[M+HCOO]- 186.07718 149.3
[M+CH3COO]- 200.09283 170.7
[M+Na-2H]- 162.05365 133.5
[M]+ 141.07843 128.1
[M]- 141.07953 128.1
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