CID 2998991

N-(3,4,5,6-tetrahydro-2h-azepin-7-yl)glycine

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CCC(=NCC1)NCC(=O)O
InChI
InChI=1S/C8H14N2O2/c11-8(12)6-10-7-4-2-1-3-5-9-7/h1-6H2,(H,9,10)(H,11,12)
InChIKey
ZZKQYXZXRHAHKH-UHFFFAOYSA-N
Compound name
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

170.10553 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 133.0
[M+Na]+ 193.09475 135.7
[M-H]- 169.09825 134.4
[M+NH4]+ 188.13935 149.4
[M+K]+ 209.06869 139.3
[M+H-H2O]+ 153.10279 126.2
[M+HCOO]- 215.10373 152.2
[M+CH3COO]- 229.11938 179.3
[M+Na-2H]- 191.08020 138.1
[M]+ 170.10498 126.0
[M]- 170.10608 126.0
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

No patent data available for this compound.