CID 522420

7-methyl-1-nonyne

Structural Information

Molecular Formula
C10H18
SMILES
CCC(C)CCCCC#C
InChI
InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3
InChIKey
ILTCNNWNFZMWTJ-UHFFFAOYSA-N
Compound name
7-methylnon-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

138.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.14813 130.9
[M+Na]+ 161.13007 139.0
[M-H]- 137.13357 130.4
[M+NH4]+ 156.17467 150.7
[M+K]+ 177.10401 137.0
[M+H-H2O]+ 121.13811 120.5
[M+HCOO]- 183.13905 147.3
[M+CH3COO]- 197.15470 187.1
[M+Na-2H]- 159.11552 134.7
[M]+ 138.14030 127.3
[M]- 138.14140 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe