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]+ 156.13829 133.5
[M+Na]+ 178.12023 139.9
[M-H]- 154.12373 140.7
[M+NH4]+ 173.16483 149.5
[M+K]+ 194.09417 140.1
[M+H-H2O]+ 138.12827 127.7
[M+HCOO]- 200.12921 153.6
[M+CH3COO]- 214.14486 180.1
[M+Na-2H]- 176.10568 140.7
[M]+ 155.13046 131.4
[M]- 155.13156 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