CID 92514

Piproctanyl bromide

Structural Information

Molecular Formula
C18H36N
SMILES
CC(C)CCCC(C)CC[N+]1(CCCCC1)CC=C
InChI
InChI=1S/C18H36N/c1-5-13-19(14-7-6-8-15-19)16-12-18(4)11-9-10-17(2)3/h5,17-18H,1,6-16H2,2-4H3/q+1
InChIKey
NTHCPJMKRGXODE-UHFFFAOYSA-N
Compound name
1-(3,7-dimethyloctyl)-1-prop-2-enylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1412
Patents

266.2848 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.29208 171.4
[M+Na]+ 289.27402 172.5
[M-H]- 265.27752 171.4
[M+NH4]+ 284.31862 188.2
[M+K]+ 305.24796 164.1
[M+H-H2O]+ 249.28206 167.3
[M+HCOO]- 311.28300 185.1
[M+CH3COO]- 325.29865 196.0
[M+Na-2H]- 287.25947 172.7
[M]+ 266.28425 167.4
[M]- 266.28535 167.4
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