CID 116280

Morpholinium, 4-(2-hydroxyethyl)-4-methyl-, chloride, carbamate

Structural Information

Molecular Formula
C8H17N2O3
SMILES
C[N+]1(CCOCC1)CCOC(=O)N
InChI
InChI=1S/C8H16N2O3/c1-10(2-5-12-6-3-10)4-7-13-8(9)11/h2-7H2,1H3,(H-,9,11)/p+1
InChIKey
CBMZIQIFOWLFOP-UHFFFAOYSA-O
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.12392 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13120 139.3
[M+Na]+ 212.11314 144.0
[M-H]- 188.11664 141.2
[M+NH4]+ 207.15774 157.3
[M+K]+ 228.08708 139.4
[M+H-H2O]+ 172.12118 136.0
[M+HCOO]- 234.12212 157.5
[M+CH3COO]- 248.13777 174.1
[M+Na-2H]- 210.09859 147.8
[M]+ 189.12337 135.4
[M]- 189.12447 135.4
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

No patent data available for this compound.