CID 54165201

(4-methyloxan-4-yl)methanamine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CCOCC1)CN
InChI
InChI=1S/C7H15NO/c1-7(6-8)2-4-9-5-3-7/h2-6,8H2,1H3
InChIKey
ORECGNYKJRNVMQ-UHFFFAOYSA-N
Compound name
(4-methyloxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

129.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.0
[M+Na]+ 152.10459 138.1
[M+NH4]+ 147.14919 138.5
[M+K]+ 168.07853 130.8
[M-H]- 128.10809 131.9
[M+Na-2H]- 150.09004 134.5
[M]+ 129.11482 130.5
[M]- 129.11592 130.5
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