CID 41068

Dtxsid80937269

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

70
Patents

145.1341 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.141376 129.2
[M+Na]+ 168.123318 135.3
[M-H]- 144.126824 130.8
[M+NH4]+ 163.167923 150.7
[M+K]+ 184.097258 130.3
[M+H-H2O]+ 128.131360 127.4
[M+HCOO]- 190.132301 153.1
[M+CH3COO]- 204.147951 177.0
[M+Na-2H]- 166.108766 137.6
[M]+ 145.13355142 128.0
[M]- 145.13464858 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