CID 2551

Carbamylcholine

Structural Information

Molecular Formula

C₆H₁₅N₂O₂

SMILES

C[N+](C)(C)CCOC(=O)N

InChI

InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

InChIKey

VPJXQGSRWJZDOB-UHFFFAOYSA-O

Compound name

2-carbamoyloxyethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 15642
References: 37361
Patents: 147.11336 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.12064	128.6
[M+Na]+	170.10258	138.7
[M+NH4]+	165.14718	136.9
[M+K]+	186.07652	135.8
[M-H]-	146.10608	129.9
[M+Na-2H]-	168.08803	133.1
[M]+	147.11281	130.5
[M]-	147.11391	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe