CID 98295

7179-86-4

Structural Information

Molecular Formula
C7H15NO
SMILES
CCNCC1CCCO1
InChI
InChI=1S/C7H15NO/c1-2-8-6-7-4-3-5-9-7/h7-8H,2-6H2,1H3
InChIKey
HLSDMLXXPIEJFI-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

145
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.4
[M+Na]+ 152.104588 133.5
[M-H]- 128.108094 131.8
[M+NH4]+ 147.149193 150.4
[M+K]+ 168.078528 134.1
[M+H-H2O]+ 112.112630 122.9
[M+HCOO]- 174.113571 151.6
[M+CH3COO]- 188.129221 172.9
[M+Na-2H]- 150.090036 134.6
[M]+ 129.11482142 126.5
[M]- 129.11591858 126.5
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