CID 95611

2917-91-1

Structural Information

Molecular Formula
C7H15NO
SMILES
CCN(CC)CC1CO1
InChI
InChI=1S/C7H15NO/c1-3-8(4-2)5-7-6-9-7/h7H,3-6H2,1-2H3
InChIKey
SBIDUCNDVPSWQT-UHFFFAOYSA-N
Compound name
N-ethyl-N-(oxiran-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

409
Patents

129.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.3
[M+Na]+ 152.104588 137.5
[M-H]- 128.108094 136.0
[M+NH4]+ 147.149193 145.8
[M+K]+ 168.078528 138.5
[M+H-H2O]+ 112.112630 122.8
[M+HCOO]- 174.113571 153.8
[M+CH3COO]- 188.129221 182.2
[M+Na-2H]- 150.090036 136.9
[M]+ 129.11482142 134.6
[M]- 129.11591858 134.6
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