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]+ 171.112806 133.0
[M+Na]+ 193.094748 135.7
[M-H]- 169.098254 134.4
[M+NH4]+ 188.139353 149.4
[M+K]+ 209.068688 139.3
[M+H-H2O]+ 153.102790 126.2
[M+HCOO]- 215.103731 152.2
[M+CH3COO]- 229.119381 179.3
[M+Na-2H]- 191.080196 138.1
[M]+ 170.10498142 126.0
[M]- 170.10607858 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.