CID 234373

(prop-2-yn-1-yl)bis(propan-2-yl)amine

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

49
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 132.9
[M+Na]+ 162.125318 140.3
[M-H]- 138.128824 133.7
[M+NH4]+ 157.169923 152.7
[M+K]+ 178.099258 140.2
[M+H-H2O]+ 122.133360 121.9
[M+HCOO]- 184.134301 149.9
[M+CH3COO]- 198.149951 192.6
[M+Na-2H]- 160.110766 135.1
[M]+ 139.13555142 128.5
[M]- 139.13664858 128.5
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