CID 234373

6323-87-1

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)N(CC#C)C(C)C
InChI
InChI=1S/C9H17N/c1-6-7-10(8(2)3)9(4)5/h1,8-9H,7H2,2-5H3
InChIKey
CSLRZHQRINOOLB-UHFFFAOYSA-N
Compound name
N-propan-2-yl-N-prop-2-ynylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

50
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 132.6
[M+Na]+ 162.12532 142.1
[M+NH4]+ 157.16992 137.4
[M+K]+ 178.09926 134.3
[M-H]- 138.12882 125.4
[M+Na-2H]- 160.11077 133.8
[M]+ 139.13555 131.0
[M]- 139.13665 131.0
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