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]+ 185.17742 146.6
[M+Na]+ 207.15936 154.3
[M-H]- 183.16286 146.6
[M+NH4]+ 202.20396 164.5
[M+K]+ 223.13330 148.1
[M+H-H2O]+ 167.16740 139.1
[M+HCOO]- 229.16834 161.4
[M+CH3COO]- 243.18399 189.7
[M+Na-2H]- 205.14481 153.9
[M]+ 184.16959 141.8
[M]- 184.17069 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.