CID 115212399

N-[(4-aminophenyl)methyl]oxan-4-amine

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1COCCC1NCC2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2O/c13-11-3-1-10(2-4-11)9-14-12-5-7-15-8-6-12/h1-4,12,14H,5-9,13H2
InChIKey
QWEHMFGXIYYLBI-UHFFFAOYSA-N
Compound name
N-[(4-aminophenyl)methyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.3
[M+Na]+ 229.13112 159.3
[M+NH4]+ 224.17572 157.2
[M+K]+ 245.10506 152.6
[M-H]- 205.13462 155.0
[M+Na-2H]- 227.11657 155.5
[M]+ 206.14135 151.6
[M]- 206.14245 151.6
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