CID 577062

Gamma-himachalene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1=CC2C(CC1)C(=CCCC2(C)C)C

InChI

InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3

InChIKey

PUWNTRHCKNHSAT-UHFFFAOYSA-N

Compound name

2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 126
Patents: 204.1878 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.195076	144.0
[M+Na]+	227.177018	149.4
[M-H]-	203.180524	149.4
[M+NH4]+	222.221623	165.5
[M+K]+	243.150958	149.8
[M+H-H2O]+	187.185060	140.1
[M+HCOO]-	249.186001	161.6
[M+CH3COO]-	263.201651	192.1
[M+Na-2H]-	225.162466	148.1
[M]+	204.18725142	138.9
[M]-	204.18834858	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe