CID 199897

Ammonium, (3-cyano-2-hydroxypropyl)trimethyl-, chloride

Structural Information

Molecular Formula
C7H15N2O
SMILES
C[N+](C)(C)CC(CC#N)O
InChI
InChI=1S/C7H15N2O/c1-9(2,3)6-7(10)4-5-8/h7,10H,4,6H2,1-3H3/q+1
InChIKey
NZDSGBWRZXBCRU-UHFFFAOYSA-N
Compound name
(3-cyano-2-hydroxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

143.11844 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.12572 131.8
[M+Na]+ 166.10766 139.6
[M-H]- 142.11116 133.0
[M+NH4]+ 161.15226 151.1
[M+K]+ 182.08160 135.2
[M+H-H2O]+ 126.11570 123.6
[M+HCOO]- 188.11664 150.3
[M+CH3COO]- 202.13229 185.8
[M+Na-2H]- 164.09311 139.7
[M]+ 143.11789 126.3
[M]- 143.11899 126.3
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