CID 41068

4-(trimethylammonio)butyramide chloride

Structural Information

Molecular Formula
C7H17N2O
SMILES
C[N+](C)(C)CCCC(=O)N
InChI
InChI=1S/C7H16N2O/c1-9(2,3)6-4-5-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1
InChIKey
LCRUTVZYMBHRJX-UHFFFAOYSA-O
Compound name
(4-amino-4-oxobutyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

145.1341 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.14138 129.2
[M+Na]+ 168.12332 135.3
[M-H]- 144.12682 130.8
[M+NH4]+ 163.16792 150.7
[M+K]+ 184.09726 130.3
[M+H-H2O]+ 128.13136 127.4
[M+HCOO]- 190.13230 153.1
[M+CH3COO]- 204.14795 177.0
[M+Na-2H]- 166.10877 137.6
[M]+ 145.13355 128.0
[M]- 145.13465 128.0
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