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

24
Patents

138.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 130.9
[M+Na]+ 161.130068 139.0
[M-H]- 137.133574 130.4
[M+NH4]+ 156.174673 150.7
[M+K]+ 177.104008 137.0
[M+H-H2O]+ 121.138110 120.5
[M+HCOO]- 183.139051 147.3
[M+CH3COO]- 197.154701 187.1
[M+Na-2H]- 159.115516 134.7
[M]+ 138.14030142 127.3
[M]- 138.14139858 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