CID 15029190

Propargylcholine

Structural Information

Molecular Formula
C7H14NO
SMILES
C[N+](C)(CCO)CC#C
InChI
InChI=1S/C7H14NO/c1-4-5-8(2,3)6-7-9/h1,9H,5-7H2,2-3H3/q+1
InChIKey
OPGYNKVUGYWXQA-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-prop-2-ynylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

42
Patents

128.10754 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.11482 128.2
[M+Na]+ 151.09676 137.1
[M-H]- 127.10026 128.5
[M+NH4]+ 146.14136 148.0
[M+K]+ 167.07070 131.3
[M+H-H2O]+ 111.10480 120.9
[M+HCOO]- 173.10574 145.6
[M+CH3COO]- 187.12139 178.4
[M+Na-2H]- 149.08221 136.8
[M]+ 128.10699 122.6
[M]- 128.10809 122.6
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

patents stripe