CID 640792

1-chloro-n,n-2-trimethylpropenylamine

Structural Information

Molecular Formula
C6H12ClN
SMILES
CC(=C(N(C)C)Cl)C
InChI
InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
InChIKey
GQIRIWDEZSKOCN-UHFFFAOYSA-N
Compound name
1-chloro-N,N,2-trimethylprop-1-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5470
Patents

133.06583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.073106 127.7
[M+Na]+ 156.055048 134.9
[M-H]- 132.058554 129.6
[M+NH4]+ 151.099653 151.0
[M+K]+ 172.028988 134.1
[M+H-H2O]+ 116.063090 124.1
[M+HCOO]- 178.064031 146.7
[M+CH3COO]- 192.079681 179.6
[M+Na-2H]- 154.040496 131.3
[M]+ 133.06528142 129.2
[M]- 133.06637858 129.2
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