CID 61269370

N-(oxan-4-ylmethyl)cyclopropanamine

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC1NCC2CCOCC2
InChI
InChI=1S/C9H17NO/c1-2-9(1)10-7-8-3-5-11-6-4-8/h8-10H,1-7H2
InChIKey
SFEIRCQPYYEWEJ-UHFFFAOYSA-N
Compound name
N-(oxan-4-ylmethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

155.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 132.8
[M+Na]+ 178.120228 138.4
[M-H]- 154.123734 140.1
[M+NH4]+ 173.164833 147.1
[M+K]+ 194.094168 138.1
[M+H-H2O]+ 138.128270 125.9
[M+HCOO]- 200.129211 153.8
[M+CH3COO]- 214.144861 181.2
[M+Na-2H]- 176.105676 140.0
[M]+ 155.13046142 131.1
[M]- 155.13155858 131.1
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