CID 23169

6701-82-2

Structural Information

Molecular Formula
C6H16NO
SMILES
C[N+](C)(C)CCCO
InChI
InChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1
InChIKey
AACHVWXCVWWMSI-UHFFFAOYSA-N
Compound name
3-hydroxypropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

11433
Patents

118.12319 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.13047 122.7
[M+Na]+ 141.11241 129.6
[M-H]- 117.11591 123.6
[M+NH4]+ 136.15701 145.4
[M+K]+ 157.08635 124.6
[M+H-H2O]+ 101.12045 121.7
[M+HCOO]- 163.12139 145.9
[M+CH3COO]- 177.13704 167.6
[M+Na-2H]- 139.09786 133.2
[M]+ 118.12264 122.5
[M]- 118.12374 122.5
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