CID 202693

13105-93-6

Structural Information

Molecular Formula
C7H16ClN
SMILES
CCCN(CC)CCCl
InChI
InChI=1S/C7H16ClN/c1-3-6-9(4-2)7-5-8/h3-7H2,1-2H3
InChIKey
JNPIUBFHRYBRJD-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

149.09712 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10440 131.5
[M+Na]+ 172.08634 142.6
[M+NH4]+ 167.13094 140.7
[M+K]+ 188.06028 135.5
[M-H]- 148.08984 132.8
[M+Na-2H]- 170.07179 136.6
[M]+ 149.09657 133.6
[M]- 149.09767 133.6
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