CID 216052

37029-96-2

Structural Information

Molecular Formula
C11H22NO
SMILES
CC[N+](C)(CC)CCC(C)(C#C)O
InChI
InChI=1S/C11H22NO/c1-6-11(4,13)9-10-12(5,7-2)8-3/h1,13H,7-10H2,2-5H3/q+1
InChIKey
QATSCEFMWHTVGS-UHFFFAOYSA-N
Compound name
diethyl-(3-hydroxy-3-methylpent-4-ynyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.17014 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.177416 146.6
[M+Na]+ 207.159358 154.3
[M-H]- 183.162864 146.6
[M+NH4]+ 202.203963 164.5
[M+K]+ 223.133298 148.1
[M+H-H2O]+ 167.167400 139.1
[M+HCOO]- 229.168341 161.4
[M+CH3COO]- 243.183991 189.7
[M+Na-2H]- 205.144806 153.9
[M]+ 184.16959142 141.8
[M]- 184.17068858 141.8
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.