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
8
Annotation Hits

15647
References

38526
Patents

147.11336 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.12064 127.8
[M+Na]+ 170.10258 134.3
[M-H]- 146.10608 129.5
[M+NH4]+ 165.14718 149.2
[M+K]+ 186.07652 130.0
[M+H-H2O]+ 130.11062 125.9
[M+HCOO]- 192.11156 152.3
[M+CH3COO]- 206.12721 175.2
[M+Na-2H]- 168.08803 136.8
[M]+ 147.11281 127.5
[M]- 147.11391 127.5
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