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]+ 190.131196 139.3
[M+Na]+ 212.113138 144.0
[M-H]- 188.116644 141.2
[M+NH4]+ 207.157743 157.3
[M+K]+ 228.087078 139.4
[M+H-H2O]+ 172.121180 136.0
[M+HCOO]- 234.122121 157.5
[M+CH3COO]- 248.137771 174.1
[M+Na-2H]- 210.098586 147.8
[M]+ 189.12337142 135.4
[M]- 189.12446858 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.