CID 26723

14527-03-8

Structural Information

Molecular Formula
C12H23N
SMILES
CCCC(C)CC(C)N(C)CC#C
InChI
InChI=1S/C12H23N/c1-6-8-11(3)10-12(4)13(5)9-7-2/h2,11-12H,6,8-10H2,1,3-5H3
InChIKey
GFGPHAYTCYPXPP-UHFFFAOYSA-N
Compound name
N,4-dimethyl-N-prop-2-ynylheptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.19032 144.6
[M+Na]+ 204.17226 153.5
[M+NH4]+ 199.21686 148.9
[M+K]+ 220.14620 145.0
[M-H]- 180.17576 137.3
[M+Na-2H]- 202.15771 145.0
[M]+ 181.18249 142.8
[M]- 181.18359 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.