CID 11665412

81893-78-9

Structural Information

Molecular Formula
C6H13NO2
SMILES
CNCCCCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-7-5-3-2-4-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKey
CMVZMERLBCRJAH-UHFFFAOYSA-N
Compound name
5-(methylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

131.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.7
[M+Na]+ 154.08386 134.6
[M-H]- 130.08736 127.5
[M+NH4]+ 149.12846 149.6
[M+K]+ 170.05780 134.2
[M+H-H2O]+ 114.09190 123.8
[M+HCOO]- 176.09284 151.6
[M+CH3COO]- 190.10849 173.2
[M+Na-2H]- 152.06931 134.1
[M]+ 131.09409 128.7
[M]- 131.09519 128.7
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