CID 3041021

53310-23-9

Structural Information

Molecular Formula
C17H32NO
SMILES
CC[N+](CC)(CC)CCCC#CC1(CCCCC1)O
InChI
InChI=1S/C17H32NO/c1-4-18(5-2,6-3)16-12-8-11-15-17(19)13-9-7-10-14-17/h19H,4-10,12-14,16H2,1-3H3/q+1
InChIKey
GDTNTHYHVXFPNR-UHFFFAOYSA-N
Compound name
triethyl-[5-(1-hydroxycyclohexyl)pent-4-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.24838 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.25566 169.2
[M+Na]+ 289.23760 174.5
[M-H]- 265.24110 170.4
[M+NH4]+ 284.28220 185.6
[M+K]+ 305.21154 164.5
[M+H-H2O]+ 249.24564 160.6
[M+HCOO]- 311.24658 181.3
[M+CH3COO]- 325.26223 200.6
[M+Na-2H]- 287.22305 173.8
[M]+ 266.24783 161.0
[M]- 266.24893 161.0
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.