CID 66857383

Bc9kby85wy

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=O)N2CCN(CC2)C(=O)N
InChI
InChI=1S/C17H27N3O2/c1-13-5-4-8-17(2,3)14(13)6-7-15(21)19-9-11-20(12-10-19)16(18)22/h6-7H,4-5,8-12H2,1-3H3,(H2,18,22)/b7-6+
InChIKey
ISXCNDQRTAJCDE-VOTSOKGWSA-N
Compound name
4-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

305.21033 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 176.5
[M+Na]+ 328.19955 180.1
[M-H]- 304.20305 178.7
[M+NH4]+ 323.24415 190.0
[M+K]+ 344.17349 176.7
[M+H-H2O]+ 288.20759 168.2
[M+HCOO]- 350.20853 189.4
[M+CH3COO]- 364.22418 207.1
[M+Na-2H]- 326.18500 174.3
[M]+ 305.20978 169.7
[M]- 305.21088 169.7
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