CID 59234193

[1-(oxan-4-yl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C9H17NO
SMILES
C1COCCC1C2(CC2)CN
InChI
InChI=1S/C9H17NO/c10-7-9(3-4-9)8-1-5-11-6-2-8/h8H,1-7,10H2
InChIKey
QBGYHKMEMCKELD-UHFFFAOYSA-N
Compound name
[1-(oxan-4-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 133.5
[M+Na]+ 178.120228 139.9
[M-H]- 154.123734 140.7
[M+NH4]+ 173.164833 149.5
[M+K]+ 194.094168 140.1
[M+H-H2O]+ 138.128270 127.7
[M+HCOO]- 200.129211 153.6
[M+CH3COO]- 214.144861 180.1
[M+Na-2H]- 176.105676 140.7
[M]+ 155.13046142 131.4
[M]- 155.13155858 131.4
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