CID 132553

143347-18-6

Structural Information

Molecular Formula
C9H17N
SMILES
CCCC(C)N(C)CC#C
InChI
InChI=1S/C9H17N/c1-5-7-9(3)10(4)8-6-2/h2,9H,5,7-8H2,1,3-4H3
InChIKey
BSNWMBHBPLPDNI-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-ynylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

358
Patents

139.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 131.9
[M+Na]+ 162.12532 139.6
[M-H]- 138.12882 132.6
[M+NH4]+ 157.16992 151.7
[M+K]+ 178.09926 139.0
[M+H-H2O]+ 122.13336 120.8
[M+HCOO]- 184.13430 149.8
[M+CH3COO]- 198.14995 191.8
[M+Na-2H]- 160.11077 135.4
[M]+ 139.13555 128.2
[M]- 139.13665 128.2
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