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

320
Patents

129.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.3
[M+Na]+ 152.10459 137.5
[M-H]- 128.10809 136.0
[M+NH4]+ 147.14919 145.8
[M+K]+ 168.07853 138.5
[M+H-H2O]+ 112.11263 122.8
[M+HCOO]- 174.11357 153.8
[M+CH3COO]- 188.12922 182.2
[M+Na-2H]- 150.09004 136.9
[M]+ 129.11482 134.6
[M]- 129.11592 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