CID 28563039

[2-(dimethylamino)ethyl](prop-2-yn-1-yl)amine dihydrochloride

Structural Information

Molecular Formula
C7H14N2
SMILES
CN(C)CCNCC#C
InChI
InChI=1S/C7H14N2/c1-4-5-8-6-7-9(2)3/h1,8H,5-7H2,2-3H3
InChIKey
ZZXKCTQNGMSDPR-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-prop-2-ynylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

126.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 127.7
[M+Na]+ 149.10492 135.2
[M-H]- 125.10842 128.4
[M+NH4]+ 144.14952 147.5
[M+K]+ 165.07886 135.0
[M+H-H2O]+ 109.11296 116.3
[M+HCOO]- 171.11390 147.7
[M+CH3COO]- 185.12955 189.8
[M+Na-2H]- 147.09037 133.2
[M]+ 126.11515 123.0
[M]- 126.11625 123.0
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

patents stripe