CID 63998692

(2-methylbut-3-yn-2-yl)(2-methylpropyl)amine

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)CNC(C)(C)C#C
InChI
InChI=1S/C9H17N/c1-6-9(4,5)10-7-8(2)3/h1,8,10H,7H2,2-5H3
InChIKey
YJJWZTVPRSPZCY-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-methylpropyl)but-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 135.2
[M+Na]+ 162.125318 143.0
[M-H]- 138.128824 135.0
[M+NH4]+ 157.169923 154.6
[M+K]+ 178.099258 141.8
[M+H-H2O]+ 122.133360 124.9
[M+HCOO]- 184.134301 151.2
[M+CH3COO]- 198.149951 188.8
[M+Na-2H]- 160.110766 139.5
[M]+ 139.13555142 129.8
[M]- 139.13664858 129.8
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.