CID 161797

34004-36-9

Structural Information

Molecular Formula
C6H16NO2
SMILES
C[N+](C)(C)CC(CO)O
InChI
InChI=1S/C6H16NO2/c1-7(2,3)4-6(9)5-8/h6,8-9H,4-5H2,1-3H3/q+1
InChIKey
SVMYVYPFRUNJLY-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

818
Patents

134.1181 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.12538 126.4
[M+Na]+ 157.10732 132.6
[M-H]- 133.11082 125.9
[M+NH4]+ 152.15192 147.5
[M+K]+ 173.08126 127.5
[M+H-H2O]+ 117.11536 125.4
[M+HCOO]- 179.11630 147.3
[M+CH3COO]- 193.13195 167.5
[M+Na-2H]- 155.09277 135.2
[M]+ 134.11755 124.9
[M]- 134.11865 124.9
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